1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

C17H29NO2 — CID 62335575

IUPAC1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cccc(OCC)c1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-18-16(17(3,4)5)13-20-15-10-8-9-14(12-15)19-7-2/h8-10,12,16,18H,6-7,11,13H2,1-5H3
InChIKeyYAKNUBLDEXUABY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.88
Rot. Bonds8

About 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 62335575) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID62335575
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cccc(OCC)c1)C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-18-16(17(3,4)5)13-20-15-10-8-9-14(12-15)19-7-2/h8-10,12,16,18H,6-7,11,13H2,1-5H3
InChIKeyYAKNUBLDEXUABY-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107664180
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
3-ethoxy-N-propylaniline
CID 54800867
2-(3-ethoxyphenyl)-2-(propylamino)ethanol
CID 61056607
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
1-(3-ethoxyphenyl)-2-methyl-2-methylsulfonyl-N-propylpropan-1-amine
CID 105022167
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (CID 62335575) is 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(COc1cccc(OCC)c1)C(C)(C)C.
What is the InChIKey of 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is YAKNUBLDEXUABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-11-18-16(17(3,4)5)13-20-15-10-8-9-14(12-15)19-7-2/h8-10,12,16,18H,6-7,11,13H2,1-5H3.
What are the key properties of 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 62335575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).